N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide

C20H23N3O3 — CID 18887021

IUPACN-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NN1C(=O)c2ccccc2NC1C(C)C
InChIInChI=1S/C20H23N3O3/c1-13(2)18-21-17-12-8-7-11-16(17)20(25)23(18)22-19(24)14(3)26-15-9-5-4-6-10-15/h4-14,18,21H,1-3H3,(H,22,24)
InChIKeyLTJLIVWNLKSHSA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.04
Rot. Bonds5

About N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide

N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide (PubChem CID 18887021) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide
PubChem CID18887021
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NN1C(=O)c2ccccc2NC1C(C)C
InChIInChI=1S/C20H23N3O3/c1-13(2)18-21-17-12-8-7-11-16(17)20(25)23(18)22-19(24)14(3)26-15-9-5-4-6-10-15/h4-14,18,21H,1-3H3,(H,22,24)
InChIKeyLTJLIVWNLKSHSA-UHFFFAOYSA-N
XLogP3.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
CID 98175383
N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide
CID 18887382
N-methyl-2-phenoxypropanamide
CID 4626974
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-(2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-phenoxyacetamide
CID 18887279
N-(6-chloro-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(2-methylphenoxy)propanamide
CID 18886923
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
N-(3-imino-1H-isoindol-2-yl)-2-phenoxypropanamide bromide
CID 53347852
N'-acetyl-2-phenoxypropanehydrazide
CID 43011734
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide?
The IUPAC name of N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide (CID 18887021) is N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NN1C(=O)c2ccccc2NC1C(C)C.
What is the InChIKey of N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide?
The InChIKey is LTJLIVWNLKSHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(2)18-21-17-12-8-7-11-16(17)20(25)23(18)22-19(24)14(3)26-15-9-5-4-6-10-15/h4-14,18,21H,1-3H3,(H,22,24).
What are the key properties of N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide?
N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide has a molecular weight of 353.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide is sourced from PubChem (CID 18887021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).